dimethyl 2-[(E)-4-oxidanylidene-1,4-dithiophen-2-yl-but-2-enylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[(E)-4-oxidanylidene-1,4-dithiophen-2-yl-but-2-enylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[(E)-4-oxo-1,4-bis(2-thienyl)but-2-enylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[(E)-4-oxo-1,4-dithiophen-2-ylbut-2-enylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-4-oxo-1,4-dithiophen-2-ylbut-2-enylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[(E)-4-keto-1,4-bis(2-thienyl)but-2-enylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C19H14O5S4 MolecularWeight: 450.57146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C(C=CC(=O)C2=CC=CS2)C3=CC=CS3)S1)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=C(/C=C/C(=O)C2=CC=CS2)C3=CC=CS3)S1)C(=O)OC

InChI

InChI=1S/C19H14O5S4/c1-23-17(21)15-16(18(22)24-2)28-19(27-15)11(13-5-3-9-25-13)7-8-12(20)14-6-4-10-26-14/h3-10H,1-2H3/b8-7+